Geometry & MOs

Info

ID:	322871
PubChem CID:	126671495
Reduced:	ON6C33H54 (1)
Stoich.:	AB6C33D54 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	1.19
IP(EA), eV:	-8.18(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[4-(2-piperazin-1-ylpropan-2-yl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(C=C1)N2CC(C2)NC(C)(C)CCC(C)(C)COC3=CN=C(C=C3)N4CC(C4)NC(C)(C)C

DOS

IR

Vibrations